3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonic acid

Systemtic Name: 3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonic acid Openeye Name: 3-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzenesulfonic acid CAS Name: 3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonic acid IUPAC Name: 3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonic acid Traditional Name: 3-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)besylic acid Formula: C9H9N3O3S2 MolecularWeight: 271.31606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=NNC(=S)N1C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C9H9N3O3S2/c1-6-10-11-9(16)12(6)7-3-2-4-8(5-7)17(13,14)15/h2-5H,1H3,(H,11,16)(H,13,14,15)